2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide

C14H15BrN2O3 — CID 27539267

IUPAC2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C14H15BrN2O3/c1-8(2)6-16-12(18)7-17-13(19)10-4-3-9(15)5-11(10)14(17)20/h3-5,8H,6-7H2,1-2H3,(H,16,18)
InChIKeyALKKGBMZLCJXMN-UHFFFAOYSA-N
MW339.19 g/mol
LogP1.82
Rot. Bonds4

About 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide

2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide (PubChem CID 27539267) has the molecular formula C14H15BrN2O3 and a molecular weight of 339.19 g/mol. Its IUPAC name is 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
PubChem CID27539267
Molecular FormulaC14H15BrN2O3
Molecular Weight339.19 g/mol
Exact Mass338.03
IUPAC Name2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O
InChIInChI=1S/C14H15BrN2O3/c1-8(2)6-16-12(18)7-17-13(19)10-4-3-9(15)5-11(10)14(17)20/h3-5,8H,6-7H2,1-2H3,(H,16,18)
InChIKeyALKKGBMZLCJXMN-UHFFFAOYSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120655070
2-(5-chloro-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 113201438
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
2-methylpropyl N-[2-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]carbamate
CID 108574033
2-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]-4-methylpentanoic acid
CID 119188059
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(1-phenylethyl)acetamide
CID 110839260
1-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propyl]-3-(2-methylpropyl)urea
CID 108889727
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-tert-butylacetamide
CID 86978677
N-[2-[[2-(5-bromo-1,3-dioxoisoindol-2-yl)acetyl]amino]ethyl]-3-methoxypropanamide
CID 108542690
5-bromo-2-(2-oxopropyl)isoindole-1,3-dione
CID 71186577
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-phenylethyl)acetamide
CID 30426466
5-bromo-2-[2-hydroxy-3-(2-methylpropylamino)propyl]isoindole-1,3-dione
CID 106674760

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide (CID 27539267) is 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O.
What is the InChIKey of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is ALKKGBMZLCJXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3/c1-8(2)6-16-12(18)7-17-13(19)10-4-3-9(15)5-11(10)14(17)20/h3-5,8H,6-7H2,1-2H3,(H,16,18).
What are the key properties of 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide?
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 339.19 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 27539267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).